#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:44:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179391 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/88/4328877.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4328877
loop_
_publ_author_name
'Debajit Sarma'
'Partha Mahata'
'Srinivasan Natarajan'
'Pierre Panissod'
'Guillaume Rogez'
'Marc Drillon'
_publ_section_title
;
 Synthesis, Structure, and Magnetic Properties of a New Eight-Connected
 Metal-Organic Framework (MOF) based on Co4 Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4495
_journal_page_last               4501
_journal_paper_doi               10.1021/ic2020989
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C46 H28 Co4 N6 O15'
_chemical_formula_sum            'C46 H28 Co4 N6 O15'
_chemical_formula_weight         1140.46
_chemical_name_common            Co-Oxybisbenzoate
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.123(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.5598(19)
_cell_length_b                   14.0774(9)
_cell_length_c                   10.7417(6)
_cell_measurement_reflns_used    8139
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.61
_cell_volume                     4317.8(5)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'Ortep-3 for Windows (Farrugia, 1999) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smart CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            30671
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.593
_exptl_absorpt_correction_T_max  0.9390
_exptl_absorpt_correction_T_min  0.8319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_description       rod
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.406
_refine_diff_density_min         -1.455
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         8189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0194P)²+78.8761P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1743
_refine_ls_wR_factor_ref         0.1767
_reflns_number_gt                7293
_reflns_number_total             8189
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2020989_si_002.cif
_cod_data_source_block           CompoundI
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4328877
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.96964(3) 0.40331(6) 0.49322(8) 0.0102(2) Uani 1 1 d .
Co2 Co 0.53063(3) 0.59607(6) 0.50311(8) 0.0101(2) Uani 1 1 d .
Co3 Co 0.47468(3) 0.50661(6) 0.17229(8) 0.0094(2) Uani 1 1 d .
Co4 Co 1.02182(3) 0.00813(6) 0.67642(8) 0.0094(2) Uani 1 1 d .
O1 O 0.92323(17) 0.4017(3) 0.3592(4) 0.0147(10) Uani 1 1 d .
O2 O 1.03855(15) 0.4346(3) 0.5046(4) 0.0108(9) Uani 1 1 d .
O3 O 0.94678(15) 0.4111(3) 0.6708(4) 0.0102(9) Uani 1 1 d .
O4 O 0.57497(16) 0.6008(3) 0.3652(4) 0.0126(10) Uani 1 1 d .
O5 O 0.53724(15) 0.4364(3) 0.5091(4) 0.0120(10) Uani 1 1 d .
O6 O 1.44285(15) 0.4082(3) 0.3205(4) 0.0119(9) Uani 1 1 d .
O7 O 0.54051(16) 0.4945(3) 0.2394(4) 0.0150(10) Uani 1 1 d .
O8 O 1.40076(17) 0.4775(4) 0.1755(5) 0.0170(10) Uani 1 1 d .
O9 O 0.54536(17) 0.3817(3) 0.7032(4) 0.0146(10) Uani 1 1 d .
O10 O 0.95400(16) 0.5020(3) 0.2192(5) 0.0164(10) Uani 1 1 d .
O11 O 0.90370(16) 0.4877(3) 0.8055(4) 0.0141(10) Uani 1 1 d .
O12 O 1.03582(17) 0.3792(3) 0.3113(4) 0.0138(10) Uani 1 1 d .
O13 O 0.74434(19) 0.4882(5) 0.0209(5) 0.0287(14) Uani 1 1 d .
O14 O 1.24181(18) 0.2534(4) 0.4668(6) 0.0307(14) Uani 1 1 d .
O15 O 0.74473(17) 0.2840(4) 0.4782(5) 0.0245(12) Uani 1 1 d .
N1 N 0.9817(2) 0.2604(4) 0.4964(5) 0.0127(12) Uani 1 1 d .
N2 N 0.5173(2) 0.7609(4) 0.0024(5) 0.0117(11) Uani 1 1 d .
N3 N 0.51594(19) 0.6098(4) -0.0571(5) 0.0087(11) Uani 1 1 d .
N4 N 0.49227(18) 0.6164(4) 0.0522(5) 0.0066(10) Uani 1 1 d .
N5 N 0.98426(18) 0.1096(4) 0.4384(5) 0.0096(11) Uani 1 1 d .
N6 N 1.00728(19) 0.1170(4) 0.5522(5) 0.0091(11) Uani 1 1 d .
C1 C 0.9208(2) 0.4552(5) 0.2625(6) 0.0151(10) Uani 1 1 d .
C2 C 0.8739(2) 0.4628(5) 0.1992(6) 0.0141(14) Uani 1 1 d .
C3 C 0.8346(2) 0.4230(5) 0.2538(7) 0.0151(10) Uani 1 1 d .
H3 H 0.8379 0.3899 0.3283 0.018 Uiso 1 1 calc R
C4 C 0.7907(3) 0.4323(5) 0.1982(7) 0.0198(16) Uani 1 1 d .
H4 H 0.7643 0.4071 0.2356 0.024 Uiso 1 1 calc R
C5 C 0.7868(3) 0.4800(6) 0.0855(7) 0.0198(16) Uani 1 1 d .
C6 C 0.8250(3) 0.5178(6) 0.0277(6) 0.0228(12) Uani 1 1 d .
H6 H 0.8216 0.5489 -0.0484 0.027 Uiso 1 1 calc R
C7 C 0.8693(2) 0.5088(6) 0.0850(7) 0.0217(16) Uani 1 1 d .
H7 H 0.8956 0.5335 0.0467 0.026 Uiso 1 1 calc R
C8 C 0.7041(3) 0.5001(6) 0.0897(6) 0.0228(12) Uani 1 1 d .
C9 C 0.7027(3) 0.5617(6) 0.1908(7) 0.0194(15) Uani 1 1 d .
H9 H 0.7298 0.5925 0.2185 0.023 Uiso 1 1 calc R
C10 C 0.6611(2) 0.5768(5) 0.2495(7) 0.0154(10) Uani 1 1 d .
H10 H 0.6600 0.6185 0.3165 0.019 Uiso 1 1 calc R
C11 C 0.6200(2) 0.5298(5) 0.2094(6) 0.0108(13) Uani 1 1 d .
C12 C 0.6227(2) 0.4679(6) 0.1084(6) 0.0182(15) Uani 1 1 d .
H12 H 0.5960 0.4359 0.0807 0.022 Uiso 1 1 calc R
C13 C 0.6643(3) 0.4533(6) 0.0491(7) 0.0261(18) Uani 1 1 d .
H13 H 0.6656 0.4119 -0.0182 0.031 Uiso 1 1 calc R
C14 C 0.5750(2) 0.5425(5) 0.2762(7) 0.0154(10) Uani 1 1 d .
C15 C 1.0574(2) 0.3925(5) 0.4101(6) 0.0120(13) Uani 1 1 d .
C16 C 1.1063(2) 0.3564(5) 0.4253(7) 0.0146(14) Uani 1 1 d .
C17 C 1.1337(3) 0.3834(6) 0.5260(7) 0.0241(17) Uani 1 1 d .
H17 H 1.1215 0.4227 0.5869 0.029 Uiso 1 1 calc R
C18 C 1.1797(3) 0.3518(6) 0.5361(8) 0.0271(18) Uani 1 1 d .
H18 H 1.1987 0.3712 0.6027 0.033 Uiso 1 1 calc R
C19 C 1.1970(2) 0.2917(6) 0.4475(7) 0.0208(16) Uani 1 1 d .
C20 C 1.1695(3) 0.2610(7) 0.3495(9) 0.037(2) Uani 1 1 d .
H20 H 1.1809 0.2171 0.2929 0.044 Uiso 1 1 calc R
C21 C 1.1245(3) 0.2961(6) 0.3363(8) 0.031(2) Uani 1 1 d .
H21 H 1.1063 0.2792 0.2671 0.037 Uiso 1 1 calc R
C22 C 1.2796(3) 0.2983(6) 0.4135(7) 0.0213(16) Uani 1 1 d .
C23 C 1.2753(3) 0.3668(6) 0.3205(8) 0.0256(18) Uani 1 1 d .
H23 H 1.2460 0.3850 0.2898 0.031 Uiso 1 1 calc R
C24 C 1.3152(3) 0.4069(6) 0.2750(7) 0.0200(16) Uani 1 1 d .
H24 H 1.3127 0.4534 0.2136 0.024 Uiso 1 1 calc R
C25 C 1.3597(2) 0.3796(5) 0.3188(6) 0.0143(14) Uani 1 1 d .
C26 C 1.3628(2) 0.3074(5) 0.4068(6) 0.0134(14) Uani 1 1 d .
H26 H 1.3921 0.2857 0.4333 0.016 Uiso 1 1 calc R
C27 C 1.3229(2) 0.2673(5) 0.4557(7) 0.0150(14) Uani 1 1 d .
H27 H 1.3252 0.2201 0.5161 0.018 Uiso 1 1 calc R
C28 C 1.4025(2) 0.4252(5) 0.2682(6) 0.0121(13) Uani 1 1 d .
C29 C 0.9065(2) 0.4326(5) 0.7153(6) 0.0129(14) Uani 1 1 d .
C30 C 0.8634(2) 0.3905(5) 0.6560(6) 0.0131(14) Uani 1 1 d .
C31 C 0.8214(3) 0.4397(6) 0.6648(7) 0.0214(16) Uani 1 1 d .
H31 H 0.8204 0.4955 0.7110 0.026 Uiso 1 1 calc R
C32 C 0.7811(3) 0.4067(6) 0.6058(8) 0.0235(17) Uani 1 1 d .
H32 H 0.7534 0.4416 0.6086 0.028 Uiso 1 1 calc R
C33 C 0.7824(2) 0.3206(5) 0.5423(7) 0.0174(15) Uani 1 1 d .
C34 C 0.8240(2) 0.2695(5) 0.5349(7) 0.0166(15) Uani 1 1 d .
H34 H 0.8248 0.2116 0.4932 0.020 Uiso 1 1 calc R
C35 C 0.8643(2) 0.3064(5) 0.5908(7) 0.0162(14) Uani 1 1 d .
H35 H 0.8925 0.2737 0.5840 0.019 Uiso 1 1 calc R
C36 C 0.6994(2) 0.3113(5) 0.5099(7) 0.0183(15) Uani 1 1 d .
C37 C 0.6856(3) 0.3083(6) 0.6322(7) 0.0211(16) Uani 1 1 d .
H37 H 0.7065 0.2888 0.6947 0.025 Uiso 1 1 calc R
C38 C 0.6402(3) 0.3349(5) 0.6606(7) 0.0206(16) Uani 1 1 d .
H38 H 0.6308 0.3345 0.7430 0.025 Uiso 1 1 calc R
C39 C 0.6087(2) 0.3621(5) 0.5667(6) 0.0113(13) Uani 1 1 d .
C40 C 0.6241(3) 0.3633(5) 0.4438(7) 0.0185(15) Uani 1 1 d .
H40 H 0.6035 0.3817 0.3802 0.022 Uiso 1 1 calc R
C41 C 0.6693(3) 0.3375(5) 0.4148(7) 0.0196(16) Uani 1 1 d .
H41 H 0.6791 0.3380 0.3327 0.024 Uiso 1 1 calc R
C42 C 0.5605(2) 0.3946(4) 0.5976(6) 0.0101(13) Uani 1 1 d .
C43 C 0.9695(2) 0.1962(5) 0.4096(6) 0.0132(14) Uani 1 1 d .
H43 H 0.9526 0.2108 0.3372 0.016 Uiso 1 1 calc R
C44 C 1.0049(2) 0.2075(5) 0.5834(6) 0.0111(13) Uani 1 1 d .
H44 H 1.0177 0.2323 0.6567 0.013 Uiso 1 1 calc R
C45 C 0.5301(2) 0.6970(5) -0.0827(6) 0.0140(14) Uani 1 1 d .
H45 H 0.5472 0.7123 -0.1527 0.017 Uiso 1 1 calc R
C46 C 0.4937(2) 0.7071(5) 0.0841(6) 0.0121(13) Uani 1 1 d .
H46 H 0.4799 0.7312 0.1552 0.014 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Co1 O2 134.41(19) . .
O1 Co1 O3 118.06(19) . .
O2 Co1 O3 105.20(18) . .
O1 Co1 N1 96.5(2) . .
O2 Co1 N1 92.9(2) . .
O3 Co1 N1 95.4(2) . .
O1 Co1 O2 87.18(18) . 3_766
O2 Co1 O2 83.21(17) . 3_766
O3 Co1 O2 84.38(17) . 3_766
N1 Co1 O2 175.9(2) . 3_766
O4 Co2 O5 126.66(19) . 3_666
O4 Co2 O6 118.04(19) . 3_766
O5 Co2 O6 113.56(18) 3_666 3_766
O4 Co2 N2 95.0(2) . 4_576
O5 Co2 N2 92.6(2) 3_666 4_576
O6 Co2 N2 95.7(2) 3_766 4_576
O4 Co2 O5 90.02(18) . .
O5 Co2 O5 81.60(19) 3_666 .
O6 Co2 O5 85.06(18) 3_766 .
N2 Co2 O5 173.9(2) 4_576 .
O7 Co3 N3 90.9(2) . 3_665
O7 Co3 N4 92.9(2) . .
N3 Co3 N4 100.5(2) 3_665 .
O7 Co3 O9 95.59(19) . 3_666
N3 Co3 O9 171.3(2) 3_665 3_666
N4 Co3 O9 85.00(19) . 3_666
O7 Co3 O8 152.93(19) . 1_455
N3 Co3 O8 89.8(2) 3_665 1_455
N4 Co3 O8 113.59(19) . 1_455
O9 Co3 O8 81.73(19) 3_666 1_455
O7 Co3 O6 94.59(18) . 1_455
N3 Co3 O6 89.68(19) 3_665 1_455
N4 Co3 O6 167.31(19) . 1_455
O9 Co3 O6 84.06(17) 3_666 1_455
O8 Co3 O6 58.35(17) 1_455 1_455
O10 Co4 N6 91.0(2) 4_566 .
O10 Co4 N5 90.5(2) 4_566 3_756
N6 Co4 N5 101.3(2) . 3_756
O10 Co4 O11 158.10(19) 4_566 2_746
N6 Co4 O11 110.1(2) . 2_746
N5 Co4 O11 91.0(2) 3_756 2_746
O10 Co4 O12 93.73(19) 4_566 4_566
N6 Co4 O12 85.51(19) . 4_566
N5 Co4 O12 172.0(2) 3_756 4_566
O11 Co4 O12 82.49(19) 2_746 4_566
O10 Co4 O3 99.14(19) 4_566 2_746
N6 Co4 O3 165.77(19) . 2_746
N5 Co4 O3 88.66(19) 3_756 2_746
O11 Co4 O3 59.07(16) 2_746 2_746
O12 Co4 O3 83.93(17) 4_566 2_746
C1 O1 Co1 128.3(4) . .
C15 O2 Co1 105.7(4) . .
C15 O2 Co1 120.3(4) . 3_766
Co1 O2 Co1 96.79(17) . 3_766
C29 O3 Co1 131.7(4) . .
C29 O3 Co4 86.3(4) . 2_756
Co1 O3 Co4 125.0(2) . 2_756
C14 O4 Co2 124.0(4) . .
C42 O5 Co2 115.4(4) . 3_666
C42 O5 Co2 121.2(4) . .
Co2 O5 Co2 98.40(19) 3_666 .
C28 O6 Co2 136.4(4) . 3_766
C28 O6 Co3 87.1(4) . 1_655
Co2 O6 Co3 121.1(2) 3_766 1_655
C14 O7 Co3 142.5(5) . .
C28 O8 Co3 95.8(4) . 1_655
C42 O9 Co3 124.5(4) . 3_666
C1 O10 Co4 142.2(5) . 4_565
C29 O11 Co4 94.4(4) . 2_756
C15 O12 Co4 123.0(4) . 4_565
C8 O13 C5 117.9(6) . .
C22 O14 C19 118.6(6) . .
C33 O15 C36 119.8(6) . .
C43 N1 C44 103.1(6) . .
C43 N1 Co1 127.7(5) . .
C44 N1 Co1 129.2(5) . .
C45 N2 C46 102.3(5) . .
C45 N2 Co2 127.6(5) . 4_575
C46 N2 Co2 130.1(5) . 4_575
C45 N3 N4 105.9(5) . .
C45 N3 Co3 124.5(5) . 3_665
N4 N3 Co3 129.5(4) . 3_665
C46 N4 N3 105.9(5) . .
C46 N4 Co3 124.3(4) . .
N3 N4 Co3 127.6(4) . .
C43 N5 N6 106.3(5) . .
C43 N5 Co4 125.1(5) . 3_756
N6 N5 Co4 128.3(4) . 3_756
C44 N6 N5 105.8(5) . .
C44 N6 Co4 124.2(4) . .
N5 N6 Co4 127.0(4) . .
O10 C1 O1 125.5(7) . .
O10 C1 C2 118.1(6) . .
O1 C1 C2 116.4(6) . .
C7 C2 C3 119.7(6) . .
C7 C2 C1 120.2(6) . .
C3 C2 C1 120.1(6) . .
C4 C3 C2 120.7(7) . .
C3 C4 C5 118.5(7) . .
C6 C5 C4 122.2(7) . .
C6 C5 O13 115.8(7) . .
C4 C5 O13 121.9(7) . .
C5 C6 C7 119.0(7) . .
C2 C7 C6 119.9(7) . .
C13 C8 O13 117.4(7) . .
C13 C8 C9 120.7(7) . .
O13 C8 C9 121.8(7) . .
C10 C9 C8 119.5(7) . .
C9 C10 C11 120.8(7) . .
C12 C11 C10 118.1(6) . .
C12 C11 C14 120.7(6) . .
C10 C11 C14 121.1(6) . .
C13 C12 C11 121.1(7) . .
C12 C13 C8 119.8(7) . .
O7 C14 O4 125.4(7) . .
O7 C14 C11 117.5(6) . .
O4 C14 C11 117.1(6) . .
O12 C15 O2 122.3(6) . .
O12 C15 C16 119.6(6) . .
O2 C15 C16 118.1(6) . .
C17 C16 C21 119.7(7) . .
C17 C16 C15 120.6(6) . .
C21 C16 C15 119.7(7) . .
C16 C17 C18 119.7(7) . .
C19 C18 C17 119.7(7) . .
C20 C19 C18 121.1(7) . .
C20 C19 O14 120.1(7) . .
C18 C19 O14 118.4(7) . .
C19 C20 C21 119.0(8) . .
C20 C21 C16 120.6(8) . .
C27 C22 O14 114.8(7) . .
C27 C22 C23 121.3(7) . .
O14 C22 C23 123.8(7) . .
C24 C23 C22 118.7(7) . .
C23 C24 C25 121.4(7) . .
C26 C25 C24 118.4(6) . .
C26 C25 C28 121.3(6) . .
C24 C25 C28 120.2(6) . .
C27 C26 C25 120.9(6) . .
C22 C27 C26 119.1(7) . .
O8 C28 O6 118.7(6) . .
O8 C28 C25 121.8(6) . .
O6 C28 C25 119.5(6) . .
O11 C29 O3 120.3(6) . .
O11 C29 C30 120.9(6) . .
O3 C29 C30 118.8(6) . .
C35 C30 C31 119.3(6) . .
C35 C30 C29 122.2(6) . .
C31 C30 C29 118.5(6) . .
C32 C31 C30 120.9(7) . .
C31 C32 C33 119.1(7) . .
O15 C33 C32 123.1(7) . .
O15 C33 C34 116.2(6) . .
C32 C33 C34 120.6(7) . .
C35 C34 C33 118.9(7) . .
C30 C35 C34 121.2(7) . .
C41 C36 C37 122.1(7) . .
C41 C36 O15 117.5(7) . .
C37 C36 O15 120.4(7) . .
C36 C37 C38 119.1(7) . .
C37 C38 C39 120.5(7) . .
C38 C39 C40 118.4(6) . .
C38 C39 C42 120.5(6) . .
C40 C39 C42 120.9(6) . .
C41 C40 C39 121.4(7) . .
C36 C41 C40 118.5(7) . .
O9 C42 O5 123.9(6) . .
O9 C42 C39 120.0(6) . .
O5 C42 C39 116.0(6) . .
N5 C43 N1 112.4(6) . .
N6 C44 N1 112.4(6) . .
N3 C45 N2 113.1(6) . .
N4 C46 N2 112.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.938(5) .
Co1 O2 2.018(5) .
Co1 O3 2.031(5) .
Co1 N1 2.042(6) .
Co1 O2 2.294(5) 3_766
Co2 O4 1.968(5) .
Co2 O5 1.993(5) 3_666
Co2 O6 2.028(5) 3_766
Co2 N2 2.049(6) 4_576
Co2 O5 2.256(5) .
Co3 O7 2.008(5) .
Co3 N3 2.074(5) 3_665
Co3 N4 2.081(5) .
Co3 O9 2.149(5) 3_666
Co3 O8 2.152(5) 1_455
Co3 O6 2.310(5) 1_455
Co4 O10 2.004(5) 4_566
Co4 N6 2.069(5) .
Co4 N5 2.071(6) 3_756
Co4 O11 2.152(5) 2_746
Co4 O12 2.180(5) 4_566
Co4 O3 2.303(4) 2_746
O1 C1 1.284(9) .
O2 C15 1.301(8) .
O2 Co1 2.294(5) 3_766
O3 C29 1.291(8) .
O3 Co4 2.303(4) 2_756
O4 C14 1.260(8) .
O5 C42 1.291(8) .
O5 Co2 1.993(5) 3_666
O6 C28 1.294(8) .
O6 Co2 2.028(5) 3_766
O6 Co3 2.310(5) 1_655
O7 C14 1.251(9) .
O8 C28 1.239(8) .
O8 Co3 2.152(5) 1_655
O9 C42 1.235(8) .
O9 Co3 2.149(5) 3_666
O10 C1 1.252(9) .
O10 Co4 2.004(5) 4_565
O11 C29 1.245(8) .
O11 Co4 2.152(5) 2_756
O12 C15 1.232(8) .
O12 Co4 2.180(5) 4_565
O13 C8 1.389(9) .
O13 C5 1.391(9) .
O14 C22 1.384(9) .
O14 C19 1.399(9) .
O15 C33 1.366(8) .
O15 C36 1.398(8) .
N1 C43 1.340(9) .
N1 C44 1.357(8) .
N2 C45 1.339(9) .
N2 C46 1.349(8) .
N2 Co2 2.049(6) 4_575
N3 C45 1.322(9) .
N3 N4 1.369(7) .
N3 Co3 2.074(5) 3_665
N4 C46 1.323(8) .
N5 C43 1.324(9) .
N5 N6 1.381(7) .
N5 Co4 2.071(6) 3_756
N6 C44 1.320(9) .
C1 C2 1.493(9) .
C2 C7 1.391(10) .
C2 C3 1.395(10) .
C3 C4 1.386(10) .
C4 C5 1.387(10) .
C5 C6 1.373(11) .
C6 C7 1.402(10) .
C8 C13 1.376(12) .
C8 C9 1.391(11) .
C9 C10 1.372(10) .
C10 C11 1.408(9) .
C11 C12 1.395(9) .
C11 C14 1.495(9) .
C12 C13 1.373(11) .
C15 C16 1.492(9) .
C16 C17 1.376(10) .
C16 C21 1.388(10) .
C17 C18 1.391(11) .
C18 C19 1.373(11) .
C19 C20 1.372(12) .
C20 C21 1.380(11) .
C22 C27 1.379(10) .
C22 C23 1.392(11) .
C23 C24 1.370(11) .
C24 C25 1.399(10) .
C25 C26 1.390(10) .
C25 C28 1.494(9) .
C26 C27 1.384(9) .
C29 C30 1.497(9) .
C30 C35 1.377(10) .
C30 C31 1.390(10) .
C31 C32 1.384(10) .
C32 C33 1.393(11) .
C33 C34 1.394(10) .
C34 C35 1.388(10) .
C36 C41 1.373(11) .
C36 C37 1.379(10) .
C37 C38 1.389(11) .
C38 C39 1.392(10) .
C39 C40 1.400(10) .
C39 C42 1.495(9) .
C40 C41 1.382(10) .
